3-[4-(phenoxymethyl)-2-(2-phenylbutanoylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(2-phenylbutanoylamino)phenyl]propanoic acid Openeye Name: 3-[4-(phenoxymethyl)-2-(2-phenylbutanoylamino)phenyl]propanoic acid CAS Name: 3-[2-[(1-oxo-2-phenylbutyl)amino]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[4-(phenoxymethyl)-2-(2-phenylbutanoylamino)phenyl]propanoic acid Traditional Name: 3-[4-(phenoxymethyl)-2-(2-phenylbutanoylamino)phenyl]propionic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C26H27NO4/c1-2-23(20-9-5-3-6-10-20)26(30)27-24-17-19(13-14-21(24)15-16-25(28)29)18-31-22-11-7-4-8-12-22/h3-14,17,23H,2,15-16,18H2,1H3,(H,27,30)(H,28,29)